Vitas-M small molecule compound

4-{(3aS,4R,9bR)-8-[(2-fluorophenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoic acid

Catalog ID
STL222022
SMILES Fc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccc(cc1)C(=O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C25H21FN2O4S MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O4S/c26-21-6-1-2-7-23(21)28-33(31,32)17-12-13-22-20(14-17)18-4-3-5-19(18)24(27-22)15-8-10-16(11-9-15)25(29)30/h1-4,6-14,18-19,24,27-28H,5H2,(H,29,30)/t18-,19+,24+/m1/s1
InChIKey
YOIPRVFBDLXVCK-IMWIBFENSA-N
Synonyms

4((3aS4R9bR)8((2fluorophenyl)sulfamoyl)3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoicacid
C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4F)C5=CC=C(C=C5)C(=O)O
Fc1ccccc1NS(=O)(=O)c1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1ccc(cc1)C(=O)O
InChI=1SC25H21FN2O4Sc2621612723(21)2833(3132)1712132220(1417)1843519(18)24(2722)1581016(11915)25(29)30h146141819242728H5H2(H2930)t1819+24+m1s1
MFCD24857564
ZINC000014165996
ZINC14165996

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Available files

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